tert-butyl 2-[[3-(2-methylpropanoylamino)phenyl]methylcarbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[[3-(2-methylpropanoylamino)phenyl]methylcarbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[[3-(2-methylpropanoylamino)phenyl]methylcarbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[[[3-[(2-methyl-1-oxopropyl)amino]phenyl]methylamino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[3-(2-methylpropanoylamino)phenyl]methylcarbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[3-(isobutyrylamino)benzyl]carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)C2CCCN2C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)C2CCCN2C(=O)OC(C)(C)C

InChI

InChI=1S/C21H31N3O4/c1-14(2)18(25)23-16-9-6-8-15(12-16)13-22-19(26)17-10-7-11-24(17)20(27)28-21(3,4)5/h6,8-9,12,14,17H,7,10-11,13H2,1-5H3,(H,22,26)(H,23,25)